2-(3,4-dihydro-2H-chromen-8-yl)-5,13-dimethyl-4-oxa-2-azatricyclo[9.4.0.03,7]pentadeca-1(11),3(7),5,12,14-pentaene

C24H25NO2 — CID 59572216

IUPAC2-(3,4-dihydro-2H-chromen-8-yl)-5,13-dimethyl-4-oxa-2-azatricyclo[9.4.0.03,7]pentadeca-1(11),3(7),5,12,14-pentaene
SMILESCc1ccc2c(c1)CCCc1cc(C)oc1N2c1cccc2c1OCCC2
InChIInChI=1S/C24H25NO2/c1-16-11-12-21-19(14-16)7-3-8-20-15-17(2)27-24(20)25(21)22-10-4-6-18-9-5-13-26-23(18)22/h4,6,10-12,14-15H,3,5,7-9,13H2,1-2H3
InChIKeyUVKXFQCQJRHUHA-UHFFFAOYSA-N
MW359.47 g/mol
LogP6.18
Rot. Bonds1

About 2-(3,4-dihydro-2H-chromen-8-yl)-5,13-dimethyl-4-oxa-2-azatricyclo[9.4.0.03,7]pentadeca-1(11),3(7),5,12,14-pentaene

2-(3,4-dihydro-2H-chromen-8-yl)-5,13-dimethyl-4-oxa-2-azatricyclo[9.4.0.03,7]pentadeca-1(11),3(7),5,12,14-pentaene (PubChem CID 59572216) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-8-yl)-5,13-dimethyl-4-oxa-2-azatricyclo[9.4.0.03,7]pentadeca-1(11),3(7),5,12,14-pentaene.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-8-yl)-5,13-dimethyl-4-oxa-2-azatricyclo[9.4.0.03,7]pentadeca-1(11),3(7),5,12,14-pentaene
PubChem CID59572216
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name2-(3,4-dihydro-2H-chromen-8-yl)-5,13-dimethyl-4-oxa-2-azatricyclo[9.4.0.03,7]pentadeca-1(11),3(7),5,12,14-pentaene
SMILESCc1ccc2c(c1)CCCc1cc(C)oc1N2c1cccc2c1OCCC2
InChIInChI=1S/C24H25NO2/c1-16-11-12-21-19(14-16)7-3-8-20-15-17(2)27-24(20)25(21)22-10-4-6-18-9-5-13-26-23(18)22/h4,6,10-12,14-15H,3,5,7-9,13H2,1-2H3
InChIKeyUVKXFQCQJRHUHA-UHFFFAOYSA-N
XLogP6.18
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dihydro-2H-chromen-8-yl)-5,13-dimethyl-4-oxa-2-azatricyclo[9.4.0.03,7]pentadeca-1(11),3(7),5,12,14-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-8-yl)-5,13-dimethyl-4-oxa-2-azatricyclo[9.4.0.03,7]pentadeca-1(11),3(7),5,12,14-pentaene?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-8-yl)-5,13-dimethyl-4-oxa-2-azatricyclo[9.4.0.03,7]pentadeca-1(11),3(7),5,12,14-pentaene (CID 59572216) is 2-(3,4-dihydro-2H-chromen-8-yl)-5,13-dimethyl-4-oxa-2-azatricyclo[9.4.0.03,7]pentadeca-1(11),3(7),5,12,14-pentaene.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-8-yl)-5,13-dimethyl-4-oxa-2-azatricyclo[9.4.0.03,7]pentadeca-1(11),3(7),5,12,14-pentaene?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-8-yl)-5,13-dimethyl-4-oxa-2-azatricyclo[9.4.0.03,7]pentadeca-1(11),3(7),5,12,14-pentaene is Cc1ccc2c(c1)CCCc1cc(C)oc1N2c1cccc2c1OCCC2.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-8-yl)-5,13-dimethyl-4-oxa-2-azatricyclo[9.4.0.03,7]pentadeca-1(11),3(7),5,12,14-pentaene?
The InChIKey is UVKXFQCQJRHUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-16-11-12-21-19(14-16)7-3-8-20-15-17(2)27-24(20)25(21)22-10-4-6-18-9-5-13-26-23(18)22/h4,6,10-12,14-15H,3,5,7-9,13H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-8-yl)-5,13-dimethyl-4-oxa-2-azatricyclo[9.4.0.03,7]pentadeca-1(11),3(7),5,12,14-pentaene?
2-(3,4-dihydro-2H-chromen-8-yl)-5,13-dimethyl-4-oxa-2-azatricyclo[9.4.0.03,7]pentadeca-1(11),3(7),5,12,14-pentaene has a molecular weight of 359.47 g/mol, XLogP of 6.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-8-yl)-5,13-dimethyl-4-oxa-2-azatricyclo[9.4.0.03,7]pentadeca-1(11),3(7),5,12,14-pentaene is sourced from PubChem (CID 59572216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).